Macroscopic and Microscopic Kinetic Analysis and Multiparameter Prediction Model Construction for Hydrogen-Enriched Propane Explosions.

Investigating the explosion mechanisms of hydrogen-enriched propane is essential for safe development of the hydrogen energy industry and the petrochemical sector. In this study, Chemkin software analyzes the explosion characteristics of hydrogen-enriched propane. Gray relational analysis (GRA) quantitatively assesses the correlation between macroscopic parameters and microscopic species, and a multiresponse prediction model is constructed using partial least-squares regression (PLSR). The results show that when the hydrogen blending ratio is below 30%, the explosion pressure increases significantly, while the growth rate slows beyond 70%. In contrast, the adiabatic flame temperature rises modestly at low hydrogen ratios but increases rapidly at higher ratios. The concentrations of free radicals (H, O, OH) and HO rise with the hydrogen ratio, whereas CO concentration decreases steadily. The R1 reaction (H + O → O + OH) is identified as a key step in the chain reaction mechanism. GRA reveals strong correlations: the coefficient between explosion pressure and flame temperature is 0.91, between flame temperature and HO concentration is 0.92, and between OH and CO concentrations is 0.95. The PLSR model accurately predicts macroscopic explosion characteristics based on microscopic species concentrations. These results provide a theoretical foundation for safely using hydrogen-enriched propane.